2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Formula:C12H12N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid |
| MolecularFormula | C12H12N3O3BrS |
| Smiles | OC(CC1SC(N/N=C\c(cc2)ccc2Br)NC1=O)=O |
| InChI | InChI=1S/C12H12BrN3O3S/c13-8-3-1-7(2-4-8)6-14-16-12-15-11(19)9(20-12)5-10(17)18/h1-4,6,9,12,16H,5H2,(H,15,19)(H,17,18) |
| InChIK | IVNBXSULENOYRG-UHFFFAOYSA-N |
| TotalMolweight | 358.215 |
| Molweight | 358.215 |
| MonoisotopicMass | 356.978273 |
| CLogP | 2.3764 |
| CLogS | -3.503 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 224.17 |
| Relative PSA | 0.40639 |
| PolarSurfaceArea | 116.09 |
| Druglikeness | 4.3983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - 2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid | 2 - 2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
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